Hexane → HCID 22005118, compound

HRID 702308Notes

Reaction equation

HRID 702308 reaction equation
[C:36]([O:37][CH2:38][CH3:39])(=[O:40])[CH3:41].[CH3:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:27]([CH3:28])[CH3:29])[c:7]([CH:19]=[CH:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[c:8](-[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[c:9]1[CH2:10][OH:11]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:27]([CH3:28])[CH3:29])[c:7]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[c:8](-[c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[c:9]1[CH2:10][OH:11]

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 54142310HCID 54142310, compound

Product 1

HCID 22005118HCID 22005118, compound

Sources & evidence

ORD record
ord-617ab46487ed4c5f867a95c65d0255e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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